N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-phthalazin-1-yl-amine Formula: C25H20N6O MolecularWeight: 420.4659

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=NNC3=NN=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC3=NN=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H20N6O/c1-32-22-13-11-18(12-14-22)24-20(17-31(30-24)21-8-3-2-4-9-21)16-27-29-25-23-10-6-5-7-19(23)15-26-28-25/h2-17H,1H3,(H,28,29)/b27-16+